title: Mode of action of intercalators: a theoretical study.
abstract: Mode of action of some intercalators has been theoretically investigated on the basis of quantum mechanical perturbation method. Energies of H-bond interaction between drug chromophore and base pairs have been calculated in all possible orientations. The stacking energy has also been calculated with the base pairs. The effect of these interactions on specific recognition has also been discussed. On the basis of these studies, a model for the interaction of these drugs has been proposed. This explains the relative activities of acridine intercalators and satisfies the experimental observations.
authors.affiliation: Department of Physics, University of Gorakhpur.
authors.forename: R P
authors.initials: RP
authors.lastname: Ojha
authors.forename: M
authors.initials: M
authors.lastname: Roychoudhury
authors.forename: N K
authors.initials: NK
authors.lastname: Sanyal
mesh_terms: D001482:Base Composition; D006860:Hydrogen Bonding; D007364:Intercalating Agents / Q000737:chemistry / Q000494:pharmacology*; D008956:Models, Chemical; D009696:Nucleic Acids / Q000737:chemistry / Q000187:drug effects*; D013816:Thermodynamics
chemical_list: D007364:Intercalating Agents; D009696:Nucleic Acids